1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid

C15H20Cl2N2O5 — CID 2923730

IUPAC1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid
SMILESCN1CCN(CCOc2ccc(Cl)c(Cl)c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C13H18Cl2N2O.C2H2O4/c1-16-4-6-17(7-5-16)8-9-18-11-2-3-12(14)13(15)10-11;3-1(4)2(5)6/h2-3,10H,4-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyALWCYQLKLJVQEU-UHFFFAOYSA-N
MW379.24 g/mol
LogP1.78
Rot. Bonds4

About 1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid

1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid (PubChem CID 2923730) has the molecular formula C15H20Cl2N2O5 and a molecular weight of 379.24 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid
PubChem CID2923730
Molecular FormulaC15H20Cl2N2O5
Molecular Weight379.24 g/mol
Exact Mass378.07
IUPAC Name1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid
SMILESCN1CCN(CCOc2ccc(Cl)c(Cl)c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C13H18Cl2N2O.C2H2O4/c1-16-4-6-17(7-5-16)8-9-18-11-2-3-12(14)13(15)10-11;3-1(4)2(5)6/h2-3,10H,4-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyALWCYQLKLJVQEU-UHFFFAOYSA-N
XLogP1.78
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid?
The IUPAC name of 1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid (CID 2923730) is 1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid.
What is the SMILES notation for 1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid?
The canonical SMILES for 1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid is CN1CCN(CCOc2ccc(Cl)c(Cl)c2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid?
The InChIKey is ALWCYQLKLJVQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O.C2H2O4/c1-16-4-6-17(7-5-16)8-9-18-11-2-3-12(14)13(15)10-11;3-1(4)2(5)6/h2-3,10H,4-9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid?
1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid has a molecular weight of 379.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperazine;oxalic acid is sourced from PubChem (CID 2923730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).